Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.49 |
| ▸ | NOS3 | P29474 | 3/20 | 0.43 |
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18985784 | 0.80 | LRRK2 (0.46) | LRRK2HTR6ALOX5APFEN1TRPM8 | |
| SCHEMBL27727585 | 0.80 | NOS2 (0.50) | LRRK2NOS3NOS2CCR1CCR5 | |
| SCHEMBL25411688 | 0.80 | LRRK2 (0.46) | LRRK2HTR6ALOX5APFEN1TRPM8 | |
| SCHEMBL3562229 | 0.80 | LRRK2 (0.46) | LRRK2NOS3NOS2CCR1CCR5 | |
| SCHEMBL6792963 | 0.76 | NOS3 (0.48) | LRRK2NOS3NOS2CCR1CCR5 | |
| SCHEMBL2614923 | 0.75 | LRRK2 (0.45) | LRRK2NOS3NOS2ALOX5APFEN1 | |
| SCHEMBL29497424 | 0.75 | LRRK2 (0.45) | LRRK2NOS3NOS2ALOX5APFEN1 | |
| SCHEMBL16231386 | 0.72 | HPGD (0.50) | LRRK2NOS3NOS2CCR1CCR5 | |
| SCHEMBL13409373 | 0.72 | CYP1A2 (0.45) | LRRK2CCR1CCR5CCR8ALOX5AP | |
| SCHEMBL8382615 | 0.71 | LRRK2 (0.44) | LRRK2ALOX5APFEN1TRPM8SLC13A5 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017102091-A1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |